Ab initio theory for ultrafast magnetic local spin flip on the newly synthesized homodinuclear complex [NiII2(l -N 4Me2)(emb)]

Journal of Physical Chemistry A

Volumn 115, Issue 10, 2011, Pages 1774-1780

  Lefkidis, G ^a   Li, C ^b   Pal, G ^c   Blug, M ^a   Kelm, H ^a   Kruger H J ^a   Hubner W ^a  

^a University of Koblenz Landau   (Germany)

^b NORTHWESTERN POLYTECHNICAL UNIVERSITY   (China)

^c PHYSIKALISCH TECHNISCHE BUNDESANSTALT   (Germany)

Author keywords

[No Author keywords available]

Indexed keywords

AB INITIO CALCULATIONS; AB INITIO THEORY; LASER INDUCED; LIGAND-STABILIZED; LOCAL SPIN; LOCAL SYMMETRY; MAGNETIC CENTERS; SINGLE MOLECULE; SPIN LOCALIZATION; SPIN PROPERTIES; ULTRA-FAST; VIBRATIONAL AND ELECTRONIC SPECTRA;

CALCULATIONS; ULTRAFAST LASERS;

SPIN DYNAMICS;

EID: 79952613589     PISSN: 10895639     EISSN: 15205215     Source Type: Journal    
DOI: 10.1021/jp107046r     Document Type: Article

References (30)

1. Beaurepaire, E.; Merle, J.-C.; Daunois, A.; Bigot, J.-Y. Phys. Rev. Lett. 1996, 76, 4250
2. Kimel, A. V.; Kirilyuk, A.; Usachev, P. A.; Pisarev, R. V.; Balashov, A. M.; Rasing, T. Nature 2005, 435, 655
3. Bigot, J.-Y.; Vomir, M.; Beaurepaire, E. Nat. Phys. 2009, 5, 515
4. Ney, A.; Pampuch, C.; Koch, R.; Ploog, K. H. Nature 2003, 425, 485
5. Allwood, D. A.; Xiong, G.; Faulkner, C. C.; Atkinson, D.; Petit, D.; Cowburn, R. P. Science 2005, 309, 1688
6. Imre, A.; Csaba, G.; Ji, L.; Orlov, A.; Bernstein, G. H.; Porod, W. Science 2006, 311, 205
7. de Silva, A. P.; Uchiyama, S. Nat. Nanotechnol. 2007, 2, 399
8. Hübner, W.; Kersten, S.; Lefkidis, G. Phys. Rev. B 2009, 79, 184431
9. Li, C.; Hartenstein, T.; Lefkidis, G.; Hübner, W. Phys. Rev. B 2009, 79, 180413(R)
10. Zhang, G. P.; Hübner, W.; Lefkidis, G.; Bai, Y.; George, T. F. Nat. Phys. 2009, 5, 499
11. Lefkidis, G.; Zhang, G. P.; Hübner, W. Phys. Rev. Lett. 2009, 103, 217401
12. Details of the synthesis and the characterization of the complex will be presented elsewhere.
13. Doukov, D. J.; Iverson, T. M.; Seravalli, J.; Ragsdale, S. W.; Drennan, C. L. Science 2002, 298, 567
14. Darnault, C.; Volbeda, A.; Kim, E. J.; Legrand, P.; Vernede, Z.; Lindahl, P. A.; Fontecilla-Camps, J. C. Nat. Struct. Biol. 2003, 10, 271
15. Lefkidis, G.; Hübner, W. Phys. Rev. B 2007, 76, 014418
16. Hartenstein, T.; Li, C.; Lefkidis, G.; Hübner, W. J. Phys. D: Appl. Phys. 2008, 41, 164006
17. Hartenstein, T.; Lefkidis, G.; Hübner, W.; Zhang, G. P.; Bai, Y. J. Appl. Phys. 2009, 105, 07D305
18. Krüger, H.-J. Chem. Ber. 1995, 128, 531
19. Frisch, M. J.; Gaussian 03, revision B.03; Gaussian, Inc.: Wallingford, CT, 2004.
20. Wadt, W. R.; Hay, P. J. J. Chem. Phys. 1985, 82, 284
21. Pal, G.; Lefkidis, G.; Hübner, W. J. Phys. Chem. A 2009, 113, 12071
22. Curtin, D. Y.; Paul, I. C. Chem. Rev. 1981, 81, 525
23. Kuchta, M. C.; Parkin, G. New J. Chem. 1998, 22, 523
24. Lefkidis, G.; Hübner, W. Phys. Rev. Lett. 2005, 95, 077401
25. Lefkidis, G.; Hübner, W. Phys. Rev. B 2006, 74, 155106
26. Lefkidis, G.; Hübner, W. J. Magn. Magn. Mater. 2009, 321, 979
27. SAC-CI Home Page. http://www.sbchem.kyoto-u.ac.jp/nakatsuji-lab/sacci. html (2005).
28. Krüger, H.-J.; Holm, R. H. Inorg. Chem. 1989, 28, 1148
29. Krüger, H.-J.; Peng, G.; Holm, R. H. Inorg. Chem. 1991, 30, 734
30. Andersen, T.; Hübner, W. Phys. Rev. B 2002, 63, 174409